{ "info": { "author": "M.J.D. Rushton", "author_email": "m.j.d.rushton@gmail.com", "bugtrack_url": null, "classifiers": [ "License :: OSI Approved :: Apache Software License", "Programming Language :: Python :: 2.7", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.4", "Programming Language :: Python :: 3.6", "Programming Language :: Python :: 3.7", "Topic :: Scientific/Engineering" ], "description": "***********************************************************************************************\n``atsim.potentials`` - python modules for working with potential models in atomistic simulation\n***********************************************************************************************\n\nPython modules and scripts to support atomistic simulation; ``atsim.potentials`` provides tools for working with pair and embedded atom method potential models. \n\nIn particular includes functions for tabulation of pair and EAM models for `LAMMPS`_ and `DL_POLY`_.\n\nDocumentation\n=============\n\nDocumentation, containing examples, API reference etc is hosted at http://atsimpotentials.readthedocs.org\n\nInstallation\n============\n\nInstall Using Pip\n-----------------\n\nIf you have `Pip `_ type the following to install ``atsim.potentials``:\n\n.. code:: sh\n\t\n\tpip install atsim.potentials\n\n\nInstall from Source\n-------------------\n\nThe source is hosted on `bitbucket`_ and can be cloned using `mercurial`_ as follows:\n\n.. code:: sh\n\n\thg clone https://bitbucket.org/mjdr/atsim_potentials \n\n\nalternatively a tarball of the source can be downloaded from the bitbucket downloads page `here `_ \n\nFrom the source directory install ``atsim.potentials`` using the following command:\n\n.. code:: sh\n\n\tpython setup.py install\n\nContact\n=======\n\n``atsim.potentials`` was developed by Michael Rushton, if you have any problems, suggestions or queries please get in touch at m.j.d.rushton@gmail.com .\n\n\nLicense\n=======\n\n``atsim.potentials`` is licensed under the Apache 2.0 license. 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